5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one

C16H19N5O — CID 177336188

IUPAC5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one
SMILESCCC(C)Nc1ccc(-n2ccc3c(ncn3C)c2=O)cn1
InChIInChI=1S/C16H19N5O/c1-4-11(2)19-14-6-5-12(9-17-14)21-8-7-13-15(16(21)22)18-10-20(13)3/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyMKGJLSPETSITRD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.33
Rot. Bonds4

About 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one

5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one (PubChem CID 177336188) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one
PubChem CID177336188
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one
SMILESCCC(C)Nc1ccc(-n2ccc3c(ncn3C)c2=O)cn1
InChIInChI=1S/C16H19N5O/c1-4-11(2)19-14-6-5-12(9-17-14)21-8-7-13-15(16(21)22)18-10-20(13)3/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyMKGJLSPETSITRD-UHFFFAOYSA-N
XLogP2.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one (CID 177336188) is 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one is CCC(C)Nc1ccc(-n2ccc3c(ncn3C)c2=O)cn1.
What is the InChIKey of 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one?
The InChIKey is MKGJLSPETSITRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-4-11(2)19-14-6-5-12(9-17-14)21-8-7-13-15(16(21)22)18-10-20(13)3/h5-11H,4H2,1-3H3,(H,17,19).
What are the key properties of 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one?
5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 177336188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).